3-Acetyladamantane-1-carboxylic Acid | 91442-73-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Acetyladamantane-1-carboxylic Acid
• 英文别名: 3-acetyl-1-adamantanecarboxylic acid；1-carboxyadamantan-3-yl-ethan-1-one；1-acetyl-3-carboxyadamantane
• CAS: 91442-73-8
• 化学式: C₁₃H₁₈O₃
• mdl: MFCD08246128
• 分子量: 222.284
• InChiKey: MKSYFGOQROAZCW-UHFFFAOYSA-N

物化性质

• 沸点：
  366.5±25.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.846
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Acetyladamantane-1-carboxylic Acid 以60%的产率得到3-carboxy-α-isopropyl-α-methyl-1-adamantanemethanol
  参考文献：
  名称：

  EP1000924

  摘要：

  公开号：
• 作为产物：
  描述：

  1-乙酰基-3-氯金刚烷 在 硫酸 作用下， 反应 1.0h， 生成 3-Acetyladamantane-1-carboxylic Acid
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1026090119628

文献信息

• Methods of acylating adamantane, tricyclo[5.2.1.02,6], and decalin compounds
  申请人：Daicel Chemical Industries, Ltd.

  公开号：US06429314B1

  公开（公告）日：2002-08-06

  An acylating agent of the invention includes (A) a 1,2-dicarbonyl compound or its hydroxy reductant, (B) oxygen, and (C) at least one compound selected from (c1) a metallic compound and (C2) N-hydroxyphthalimide or another imide compound. As the 1,2-dicarbonyl compound or its hydroxy reductant (A), biacetyl, 2,3-butanediolor the like canbeused. As the metallic compound (c1), cobalt acetate, or another cobalt compound, for example, can be employed. By reacting an adamantane derivative or another compound having a methine carbon atom with the acylating agent, an acyl group can be introduced to the methine carbon atom with efficiency.

  本发明的酰化剂包括（A）1,2-二羰基化合物或其羟基还原剂，（B）氧气，以及（C）至少选择自（c1）金属化合物和（C2）N-羟基邻苯二甲酰亚胺或另一种亚胺化合物的化合物。作为1,2-二羰基化合物或其羟基还原剂（A），可以使用双醋酸、2,3-丁二醇等。作为金属化合物（c1），可以采用乙酸钴或另一种钴化合物。通过将金刚烷衍生物或另一种具有亚甲基碳原子的化合物与酰化剂反应，可以高效地在亚甲基碳原子上引入酰基。
• Acid-sensitive compound and resin composition for photoresist
  申请人：Daicel Chemical Industries, Ltd.

  公开号：US20030180662A1

  公开（公告）日：2003-09-25

  The photoresist resin composition comprises a polymer containing an acid-responsive compound unit of the following formula (e.g. an adamantane skeleton) and a photoactive acid precursor. R 1 may be an alkyl group having a tertiary carbon atom in the 1-position and the Z ring is a bridged-ring hydrocarbon ring comprising 2 to 4 rings. 1 wherein R 1 and R 2 are the same or different from each other and each represents a hydrogen atom, an alkyl group or a cycloalkyl group; R 3 represents a hydrogen atom or a methyl group; R 4 represents a hydrogen atom, a halogen atom, an alkyl group, an oxygen-containing group, an amino group or an N-substituted amino group; the Z ring represents a monocyclic or polycyclic alicyclic hydrocarbon ring; n represents an integer of not less than 1; with proviso that R 4 does not concurrently represent a hydrogen atom, and may be different over n occurrences; in formula (1), R 1 and R 2 may, jointly and together with the adjacent carbon atom, form an alicyclic hydrocarbon ring. The above photoresist resin composition is high in etching resistance, can be solubilized by irradiation, and is capable of providing a finer line pattern.

  照片阻聚合物组成包括聚合物和光活性酸前体，其中聚合物含有以下式子的酸响应化合物单元（例如，金刚烷骨架）：R1可以是1-位具有三级碳原子的烷基基团，Z环是由2至4个环组成的桥环烃环。其中，R1和R2相同或不同，每个表示氢原子、烷基或环烷基；R3表示氢原子或甲基基团；R4表示氢原子、卤素原子、烷基、含氧基团、氨基或N-取代氨基；Z环表示单环或多环脂环烃环；n表示不小于1的整数；但是R4不能同时表示氢原子，在n次出现时可以不同；在式（1）中，R1和R2可以与相邻碳原子共同形成脂环烃环。上述照片阻聚合物组成具有高蚀刻抗性，可以通过辐射溶解，并能够提供更细的线型图案。
• ADAMANTANEMETHANOL DERIVATIVES AND PRODUCTION PROCESSES THEREOF
  申请人：——

  公开号：US20020016516A1

  公开（公告）日：2002-02-07

  An adamantanemethanol derivative of the invention is represented by the following formula (1), wherein R a is a hydrogen atom or a hydrocarbon group; R b is a hydrocarbon group having a carbon atom, to which carbon atom at least one hydrogen atom is bonded, at a bonding site with the adjacent carbon atom; R c , R d and R e are each a hydrogen atom, a hydroxyl group which may be protected by a protective group or the like; provided that a hydroxyl group protected by a protective group or the like is bonded to at least one carbon atom constituting the adamantane skeleton when R a is a hydrogen atom or a methyl group and R b is a methyl group; and at least one substituent, in addition to the HO—C(R a ) (R b )— group indicated in the formula (1), is bonded to the adamantane ring when one of R a and R b is a methyl group and the other is an ethyl group. 1

  该发明的一种金刚烷甲醇衍生物由以下公式（1）表示，其中R是氢原子或烃基；Rb是具有碳原子的烃基，在与相邻碳原子的结合位点上至少与一个氢原子键合；Rc、Rd和Re分别是氢原子、羟基或被保护基团等；前提是当R为氢原子或甲基基团，Rb为甲基基团时，至少一个被保护羟基或类似物被键合到构成金刚烷骨架的至少一个碳原子上；当Ra和Rb中有一个为甲基基团，另一个为乙基基团时，除公式（1）中指示的HO—C（Ra）（Rb）基团外，至少有一个取代基键合到金刚烷环上。
• Multicyclic compounds which inhibit leukocyte adhesion mediated by VLA-4
  申请人：——

  公开号：US20030134874A1

  公开（公告）日：2003-07-17

  Disclosed are compounds which bind VLA-4. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本发明揭示了一种与VLA-4结合的化合物。其中某些化合物还能抑制白细胞粘附，特别是VLA-4介导的白细胞粘附。这样的化合物可用于治疗哺乳动物患者（例如人类）的炎症性疾病，如哮喘、阿尔茨海默病、动脉硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物也可用于治疗多发性硬化等炎症性脑疾病。
• ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP0990634A1

  公开（公告）日：2000-04-05

  An acylating agent of the invention includes (A) a 1,2-dicarbonyl compound or its hydroxy reductant, (B) oxygen, and (C) at least one compound selected from (c1) a metallic compound and (C2) N-hydroxyphthalimide or another imide compound. As the 1,2-dicarbonyl compound or its hydroxy reductant (A), biacetyl, 2,3-butanediol or the like can be used. As the metallic compound (c1), cobalt acetate, or another cobalt compound, for example, can be employed. By reacting an adamantane derivative or another compound having a methine carbon atom with the acylating agent, an acyl group can be introduced to the methine carbon atom with efficiency.

  本发明的酰化剂包括(A)1,2-二羰基化合物或其羟基还原剂，(B)氧和(C)至少一种选自(c1)金属化合物和(C2)N-羟基邻苯二甲酰亚胺或另一种酰亚胺化合物的化合物。作为 1,2-二羰基化合物或其羟基还原剂 (A)，可以使用生物乙酰基、2,3-丁二醇或类似物。作为金属化合物（c1），可以使用醋酸钴或其他钴化合物等。将金刚烷衍生物或其他具有甲烷碳原子的化合物与酰化剂反应，可以有效地将酰基引入甲烷碳原子。